SCHEMBL12949335

SCHEMBL12949335

CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(C(=O)c2cccnc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
NAMPT P43490 2/20 0.47
HTT P42858 5/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.44
KDR P35968 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
NOD2 Q9HC29 1/20 0.43
ADRB2 P07550 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PDGFRB P09619 2/20 0.42
IL2 P60568 2/20 0.41
RAB9A P51151 2/20 0.41
ABL1 P00519 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL616666 0.87 LMNA (0.43) LMNANAMPTHTTMAPTJAK2
SCHEMBL615679 0.82 MEN1 (0.46) HTTJAK2JAK1TYK2NOD2
SCHEMBL2307034 0.82 MEN1 (0.46) HTTJAK2JAK1TYK2NOD2
SCHEMBL614813 0.81 MEN1 (0.42) NAMPTHTTMAPTJAK2JAK1
SCHEMBL614341 0.81 IL2 (0.44) HTTMAPTJAK2JAK1TYK2
SCHEMBL984785 0.80 MEN1 (0.43) HTTJAK2JAK1TYK2NOD2
SCHEMBL986476 0.79 MEN1 (0.48) HTTMAPTJAK2JAK1TYK2
SCHEMBL616370 0.79 MAPT (0.46) LMNAMAPTPOLBMAPK1SMN1; SMN2
SCHEMBL617019 0.79 NPC1 (0.46) LMNAHTTMAPTPOLBJAK2
SCHEMBL8233053 0.78 IL2 (0.41) HTTMAPTJAK2JAK1TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US disclosed
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 US disclosed
US-7816535-B2 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-10-19 US disclosed
US-7816535-B2 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-10-19 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 LMNA 3822/4885NAMPT 3111/4885HTT 4401/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 LMNA 3822/4885NAMPT 3111/4885HTT 4401/4885
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 LMNA 2795/4885NAMPT 1969/4885HTT 4397/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.